tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate

C15H26F2N2O3 — CID 162725814

IUPACtert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(O)CC2)C(F)(F)C1
InChIInChI=1S/C15H26F2N2O3/c1-14(2,3)22-13(21)19-9-6-12(15(16,17)10-19)18-7-4-11(20)5-8-18/h11-12,20H,4-10H2,1-3H3
InChIKeyJBSSAIMCAHDUEW-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate

tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 162725814) has the molecular formula C15H26F2N2O3 and a molecular weight of 320.38 g/mol. Its IUPAC name is tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
PubChem CID162725814
Molecular FormulaC15H26F2N2O3
Molecular Weight320.38 g/mol
Exact Mass320.19
IUPAC Nametert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(O)CC2)C(F)(F)C1
InChIInChI=1S/C15H26F2N2O3/c1-14(2,3)22-13(21)19-9-6-12(15(16,17)10-19)18-7-4-11(20)5-8-18/h11-12,20H,4-10H2,1-3H3
InChIKeyJBSSAIMCAHDUEW-UHFFFAOYSA-N
XLogP2.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1S)-2,2-difluorocyclobutyl]piperazine-1-carboxylate
CID 135284315
tert-butyl (4S)-3,3-difluoro-4-(methylamino)piperidine-1-carboxylate
CID 164876565
tert-butyl 3,3-difluoro-4-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]piperidine-1-carboxylate
CID 164720240
tert-butyl (4S)-3,3-difluoro-4-formylpiperidine-1-carboxylate
CID 124703542
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 97289962
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 86695049
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636
methyl 1-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450693
tert-butyl (4S)-3,3-difluoro-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 134542927
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
CID 122652546
tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
CID 129353870

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (CID 162725814) is tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCC(O)CC2)C(F)(F)C1.
What is the InChIKey of tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is JBSSAIMCAHDUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O3/c1-14(2,3)22-13(21)19-9-6-12(15(16,17)10-19)18-7-4-11(20)5-8-18/h11-12,20H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 320.38 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-difluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 162725814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).